UCSF

ZINC00660304

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 28 Yes

Other Names:

MFCD03289882

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.87 -3.4 -13.02 3 6 0 86 411.508 5
Lo Low (pH 4.5-6) 3.87 -3.26 -37.03 4 6 1 87 412.516 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )